1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone

C97H112N8O8 — CID 160683780

IUPAC1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone
SMILESC=C1CCc2c1ccc1c2c2cc(C(C)=O)c(OC)cc2n1CCCN(C)C.C=C1CCc2c1ccc1c2c2cc(C(C)=O)ccc2n1CCC1CCCN1C.C=C1CCc2c1ccc1c2c2cc(C(C)=O)ccc2n1CCCN(C)C.COc1cc2c(cc1C(C)=O)c1cc(C(C)=O)c(OC)cc1n2CCC1CCCN1C
InChIInChI=1S/C25H30N2O4.C25H28N2O.C24H28N2O2.C23H26N2O/c1-15(28)18-11-20-21-12-19(16(2)29)25(31-5)14-23(21)27(22(20)13-24(18)30-4)10-8-17-7-6-9-26(17)3;1-16-6-8-21-20(16)9-11-24-25(21)22-15-18(17(2)28)7-10-23(22)27(24)14-12-19-5-4-13-26(19)3;1-15-7-8-18-17(15)9-10-21-24(18)20-13-19(16(2)27)23(28-5)14-22(20)26(21)12-6-11-25(3)4;1-15-6-8-19-18(15)9-11-22-23(19)20-14-17(16(2)26)7-10-21(20)25(22)13-5-12-24(3)4/h11-14,17H,6-10H2,1-5H3;7,9-11,15,19H,1,4-6,8,12-14H2,2-3H3;9-10,13-14H,1,6-8,11-12H2,2-5H3;7,9-11,14H,1,5-6,8,12-13H2,2-4H3
InChIKeyROMKHCKJLKSOOM-UHFFFAOYSA-N
MW1518.01 g/mol
LogP19.97
Rot. Bonds22

About 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone

1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone (PubChem CID 160683780) has the molecular formula C97H112N8O8 and a molecular weight of 1518.01 g/mol. Its IUPAC name is 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone.

Molecular Properties

Compound Name1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone
PubChem CID160683780
Molecular FormulaC97H112N8O8
Molecular Weight1518.01 g/mol
Exact Mass1516.86
IUPAC Name1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone
SMILESC=C1CCc2c1ccc1c2c2cc(C(C)=O)c(OC)cc2n1CCCN(C)C.C=C1CCc2c1ccc1c2c2cc(C(C)=O)ccc2n1CCC1CCCN1C.C=C1CCc2c1ccc1c2c2cc(C(C)=O)ccc2n1CCCN(C)C.COc1cc2c(cc1C(C)=O)c1cc(C(C)=O)c(OC)cc1n2CCC1CCCN1C
InChIInChI=1S/C25H30N2O4.C25H28N2O.C24H28N2O2.C23H26N2O/c1-15(28)18-11-20-21-12-19(16(2)29)25(31-5)14-23(21)27(22(20)13-24(18)30-4)10-8-17-7-6-9-26(17)3;1-16-6-8-21-20(16)9-11-24-25(21)22-15-18(17(2)28)7-10-23(22)27(24)14-12-19-5-4-13-26(19)3;1-15-7-8-18-17(15)9-10-21-24(18)20-13-19(16(2)27)23(28-5)14-22(20)26(21)12-6-11-25(3)4;1-15-6-8-19-18(15)9-11-22-23(19)20-14-17(16(2)26)7-10-21(20)25(22)13-5-12-24(3)4/h11-14,17H,6-10H2,1-5H3;7,9-11,15,19H,1,4-6,8,12-14H2,2-3H3;9-10,13-14H,1,6-8,11-12H2,2-5H3;7,9-11,14H,1,5-6,8,12-13H2,2-4H3
InChIKeyROMKHCKJLKSOOM-UHFFFAOYSA-N
XLogP19.97
TPSA145.72 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001518.01
LogP ≤ 519.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone?
The IUPAC name of 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone (CID 160683780) is 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone.
What is the SMILES notation for 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone?
The canonical SMILES for 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone is C=C1CCc2c1ccc1c2c2cc(C(C)=O)c(OC)cc2n1CCCN(C)C.C=C1CCc2c1ccc1c2c2cc(C(C)=O)ccc2n1CCC1CCCN1C.C=C1CCc2c1ccc1c2c2cc(C(C)=O)ccc2n1CCCN(C)C.COc1cc2c(cc1C(C)=O)c1cc(C(C)=O)c(OC)cc1n2CCC1CCCN1C.
What is the InChIKey of 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone?
The InChIKey is ROMKHCKJLKSOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4.C25H28N2O.C24H28N2O2.C23H26N2O/c1-15(28)18-11-20-21-12-19(16(2)29)25(31-5)14-23(21)27(22(20)13-24(18)30-4)10-8-17-7-6-9-26(17)3;1-16-6-8-21-20(16)9-11-24-25(21)22-15-18(17(2)28)7-10-23(22)27(24)14-12-19-5-4-13-26(19)3;1-15-7-8-18-17(15)9-10-21-24(18)20-13-19(16(2)27)23(28-5)14-22(20)26(21)12-6-11-25(3)4;1-15-6-8-19-18(15)9-11-22-23(19)20-14-17(16(2)26)7-10-21(20)25(22)13-5-12-24(3)4/h11-14,17H,6-10H2,1-5H3;7,9-11,15,19H,1,4-6,8,12-14H2,2-3H3;9-10,13-14H,1,6-8,11-12H2,2-5H3;7,9-11,14H,1,5-6,8,12-13H2,2-4H3.
What are the key properties of 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone?
1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone has a molecular weight of 1518.01 g/mol, XLogP of 19.97, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-acetyl-2,7-dimethoxy-9-[2-(1-methylpyrrolidin-2-yl)ethyl]carbazol-3-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-8-methoxy-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[6-[3-(dimethylamino)propyl]-3-methylidene-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone;1-[3-methylidene-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2-dihydrocyclopenta[c]carbazol-9-yl]ethanone is sourced from PubChem (CID 160683780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).